N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-[(3,5-dimethyl-1-piperidyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(3,5-dimethylpiperidino)sulfonyl-nipecotamide Formula: C21H32BrN3O4S MolecularWeight: 502.46548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C21H32BrN3O4S/c1-15-9-16(2)13-25(12-15)30(27,28)24-8-4-5-17(14-24)21(26)23-11-18-10-19(22)6-7-20(18)29-3/h6-7,10,15-17H,4-5,8-9,11-14H2,1-3H3,(H,23,26)